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Novel layered perovskite BaLa0.9Fe0.1InO4-δ with triple conductivity
Ceramics International. 2024. Vol. 50. No. 20. P. 40445–40452.
Tarasova N., Abakumova E., Kuznetsova T., A. Bedarkova, Pryakhina V., Cherepanova V., Tarutin A., Danilov N., Starostin G., Starostina I., Animitsa I.
The search for novel functional ceramic materials with targeted properties is currently very important. Complex oxides with perovskite or perovskite-related structure are being considered for the production of electrochemical devices for the hydrogen energy ecosystem. Layered perovskites including based on BaLaInO4 are promising materials for proton-conducting electrolyte of solid oxide fuel cells. The idea of this work is to create a triple conductivity material based on BaLaInO4. In this work, the doping of the lanthanum sublattice with iron ions was carried out for the first time. The effect of doping on the structure, water uptake and electrical conductivity was investigated. It was shown that the introduction of iron ions into lanthanum sublattice changes the crystal lattice from orthorhombic to tetragonal structure. The water uptake is very small and it is 0.02 mol H2O per formula unit for BaLa0.9Fe0.1InO4–δ composition. Studies of the electrical properties have shown that the nature of con- ductivity is mixed hole/oxygen ionic at dry air and hole/oxygen ionic/protonic and wet air. The Fe-doped- composition can be considered as triple conducting materials and it is prospective as the electrode materials comparable with protonic electrolyte Ba1.1La0.9InO3.95.
Mazur D., Brandyshev P., Doronin S. V. et al., Electrochimica Acta 2026 Vol. 577 Article 149729
The electric double layer (EDL) at a single-crystal metal surface is controlled not only by the electrolyte composition and the electrode potential, but also by the atomic structure of the surface itself. This makes the Ag(hkl)/NaF interface a stringent test for continuum theories of the EDL. In the third part of our series, we examine ...
Added: August 20, 2026
Budkov Y., Kalikin N., Journal of Chemical Physics 2026 Vol. 165 Article 064506
A self-consistent statistical-mechanical theory of the Hall effect in electrolyte solutions is developed by extending the self-consistent Debye–Hückel–Onsager (SCDHO) framework to crossed electric and magnetic fields. The theory incorporates non-local ionic charge distributions via Slater-type form factors, regularizing the Coulomb interaction at short range, and accounts for dielectric friction through ion-specific coefficients, employing experimental values ...
Added: August 12, 2026
Voropaeva D., S. Novikova, I. Stenina et al., Solid State Ionics 2026 Vol. 445 Article 117288
Composite gel polymer electrolytes based on a perfluorinated sulfonic acid cation-exchange MF-4SC membrane
containing surface-sulfonated nanoparticles of aluminum oxide, cerium (IV) oxide, and titanium oxide (sAl2O3,
sCeO2, and sTiO2, respectively) were prepared by casting from a dispersion in N,N-dimethylformamide and
plasticized with a 1,3-dioxolane/1,2-dimethoxyethane mixture. The influence of the filler nature on ionic conductivity,
solvent uptake, activation energy, lithium ...
Added: July 30, 2026
Korogod D., Shapeev A., Ivan S. Novikov, Physical Review B: Condensed Matter and Materials Physics 2026 Vol. 114 No. 2 Article 024104
We present two models with explicit long-range electrostatics in the form of Coulomb interactions. Both models include point charges depending on their local atomic environments, and the second model also conserves a total charge of an atomic system. We combine the proposed long-range models with the local moment tensor potential (MTP) and demonstrate that they ...
Added: July 22, 2026
Moshkina E., Molokeev M., Zolotov A. et al., Journal of Alloys and Compounds 2026 Vol. 1077 Article 189412
A wide series of substitutions in a subsystem of small radii cations M = Al, Cr, Fe, Ga, Sc is possible in rare-earth borates ReM3(BO3)4 with the huntite structure. However, the existence of these compounds where M = Mn still raises doubts. The study presents a synthetic approach developed in the framework of the flux method allowing for the required ...
Added: June 29, 2026
Schneider M., Zaripov D., Dokin R. et al., Journal of Chemical Theory and Computation 2026 Vol. 22 No. 9 P. 4405–4414
Density functional theory (DFT) is the workhorse of modern reactions and materials modeling. While the exact functional remains unknown, many approximations to it have been constructed either by hand-crafting functional forms to satisfy exact constraints or by machine learning. In this work, we show how both of these approaches can be fused to build both ...
Added: June 26, 2026
Laurinavichyute V., Levin E. E., Mironkova A. A. et al., Surfaces and Interfaces 2026 Vol. 81 Article 108389
In this work we characterize mixed Mo-W acidic deposition solutions with Mo content ranging from 0 to 100 mol.% by Raman and UV–Vis spectroscopy. The obtained distribution diagram of mixed isopolyanions allows one to explain the observed change in film deposition rate with increase in Mo content. It was found that the initial decrease in ...
Added: June 24, 2026
Filippova A. V., Yurchenko N. Y., Smirnov S. A. et al., Journal of Alloys and Compounds 2026 No. 1074 Article 189162
This study investigates the effects of post-processing heat treatment at 300–500 °C on the microstructure, hardness, and tensile properties of laser powder bed fusion (PBF-LB) processed Al-bronze processed with energy densities (ED) in the range of 125–938 J/mm3. In the as-printed state, sharp needle-like α + β′ laths form at lower ED whereas with increasing ED, the β′ ...
Added: June 12, 2026
Obijiofor O., Novikov A., New Journal of Chemistry 2026 Vol. 50 No. 23 P. 9749–9768
Rational design of gold-based nanocarriers for neurotherapeutics requires atomic-scale understanding of drug-material interactions. Density functional theory calculations were performed to investigate levodopa (L-DOPA) adsorption on small gold clusters (Au2–Au4) with cationic, neutral, and anionic charges, with additional validation on a larger Au10 cluster using multiple low-energy isomers. Binding free energies (ΔGbind), charge transfer, and electronic descriptors ...
Added: June 3, 2026
Das A., Saikia J., Maji N. et al., ChemNanoMat 2026 Vol. 12 No. 5 Article e202500733
Developing efficient photoactive materials from bio-derived resources is vital yet challenging for achieving effective water splitting performance. In this work, nano carbon dots (CDs) of zero-dimensional (0D) were synthesized from papaya peel through a simple and eco-friendly process and subsequently anchored onto the two-dimensional (2D) layered structure of graphitic carbon nitride (g-C3N4, GCN) at various ...
Added: June 2, 2026
Wary R. R., Mahato B., Sharma N. et al., The Journal of Physical Chemistry Letters 2026 Vol. 17 No. 17 P. 5099–5107
Development of heterojunction materials is an efficient approach for enhancing photocatalytic and photoelectrochemical processes. We develop a ZnO/CuO heterojunction via Cu doping into a ZnO matrix. Structural characterization confirmed that Cu was effectively incorporated into ZnO without any structural changes. The improved optical properties and reduced charge carrier recombination of the doped samples were confirmed ...
Added: June 2, 2026
Ostovari Moghaddam A., Mehrabi-Kalajahi S., Hossein Vasigh S. A. et al., The Journal of Physical Chemistry Letters 2026 Vol. 17 No. 13 P. 3978–3985
Water electrolysis is a key technology for sustainable energy conversion and hydrogen generation. Recently, high-entropy oxides (HEOs) have emerged as promising materials because they allow tuning of structural, electronic, and catalytic properties in multifunctional systems. Here, we report the synthesis of a multicomponent La(FeCoCuTiNiMnMgSnZn)O3 perovskite, and its hybridization with reduced graphene oxide (rGO) to form a ...
Added: June 1, 2026
Chowdhury U., Mondal S., Dey S. et al., Journal of the american chemical society 2026 Vol. 148 No. 23 P. 24538–24550
Covalent functionalization offers a versatile platform to engineer carbon nanotube properties for optoelectronics applications. We demonstrate by atomistic quantum dynamics simulation that covalent functionalization can renormalize the CNT band gap, split the degenerate CNT band edge states, and strongly influence charge carrier separation and recombination dynamics. Open-ring CNT functionalization (O-CNT) largely retains the π-conjugation, whereas ...
Added: June 1, 2026
Jiménez-Grávalos F., Alexander S. Novikov, Pendás Á. M., Communications in Computational Chemistry 2026 Vol. 8 No. 2 P. 203–210
Chalcogen bonds (ChBs) are often interpreted as 𝜎-hole driven electrostatic interactions between a chalcogen atom and a Lewis base, yet their covalent character remains under active discussion. Here, we present a real-space, reference-free study of prototypical X2Ch···X– complexes (X = F, Cl; Ch = O, S) using the Interacting Quantum Atoms (IQA) energy decomposition within ...
Added: May 27, 2026
Uskov F., Korobkov S., Birin K. P. et al., Journal of Photochemistry and Photobiology A: Chemistry 2026 Vol. 474 Article 116936
Oxidation of sulfides by singlet oxygen has been extensively studied, yet the structure-photoactivity relationship of these photosensitizers remains underinvestigated. In the present work the photocatalytic performance of a set of functionalized palladium(II) porphyrinates was comprehensively investigated in the photocatalytic oxidation of sulfides to reveal mutual influence of structural peculiarities onto the photosensitizing properties. The photophysical ...
Added: May 27, 2026
Mezentsev I., Dudarova N., Druzina A. et al., Journal of Photochemistry and Photobiology A: Chemistry 2026 Vol. 479 Article 117316
Novel cobalt bis(dicarbollide) based terminal alkynes with charge-compensated group in a spacer were synthesized by the nucleophilic ring-opening reactions of cyclic oxonium derivatives of cobalt bis(dicarbollide) with N,N-dimethylbut-3-yn-1-amine. A series of zwitterionic conjugates of cobalt bis(dicarbollide) with BODIPY were synthesized using the copper(I)-catalyzed azide-alkyne cycloaddition reaction. The absorption-emission spectra of the synthesized fluorescent conjugates of cobalt ...
Added: May 27, 2026
Toukach P., Smirnova N. S., Zdorovenko E. L. et al., Analytical Chemistry 2026 Vol. 98 No. 15 P. 10988–10996
Pyruvylation is one of the immunochemically relevant modifications of O-antigens in bacterial and fungal cells. Therefore, fast and relatively simple analytical methods for identifying this modification are highly demanded. 13C NMR spectroscopy is the best candidate for this purpose, but its successful application requires using reference structures and reliable databases. In this work, we collected ...
Added: May 25, 2026
Рыжкин М. И., Рыжкин И. А., Синицын В. В. et al., Письма в Журнал экспериментальной и теоретической физики 2025 Т. 122 № 1-2 С. 109–115
The frequency dependence of the proton conductivity of ice and water is theoretically investigated in a wide frequency range. The electric field of the inhomogeneous distribution of proton current carriers and their finite mass are taken into account. The first factor is responsible for the difference in the behavior of the transverse and longitudinal conductivities, ...
Added: January 17, 2026
Tarasova N., Bedarkova A., Animitsa I. et al., International Journal of Hydrogen Energy 2023 Vol. 48 No. 59 P. 22522–22530
Proton-conducting electrochemical devices such as protonic ceramic fuel cells and pro- tonic ceramic electrolysis cells play a major role in the creation of eco-friendly “green” energy systems. The most studies of proton-conducting materials for these devices are barium cerate zirconates. The layered perovskites are novel class of proton-conducting materials. In this paper, the possibility of ...
Added: December 18, 2025
Zhigileva E. A., Enakieva Y. Y., Sinelshchikova A. A. et al., Dalton Transactions 2023 Vol. 52 No. 24 P. 8237–8246
Hydrogen-bonded organic frameworks (HOFs) possessing high crystallinity, simple synthetic procedure and easy regeneration provide high efficiency as multifunctional systems, including applications as proton conductors. Porphyrinylphosphonates having acidic moieties, which can form multiple hydrogen bonds, together with tunable physical–chemical properties of a macrocycle may significantly improve the proton conductivity of such materials. Herein, the synthesis, characterization ...
Added: January 21, 2025
Ulyana M. Zavorotnaya, Gudkov Y., Ponomarev I. et al., Ionics 2025 Vol. 31 P. 1891–1907
Impedance spectroscopy was used to study proton conductivity changing of pre-dried sulfonated perfluorinated and hydrocarbon (polynaphtoleimide) membranes over time during their hydration. For this purpose, commercial perfluorinated membranes Nafion 212, Nafion 211, Gore 18 and hydrocarbon co-polynaphthoyleneimide (co-PNIS) membranes with different hydrophobicity blocks (ODAS/MDAC and ODAS/MDOT) synthesized in this work were used. It was found ...
Added: January 15, 2025
Baldin E., Lyskov N., Vorobieva G. et al., Energies 2023 Vol. 16 No. 15 Article 5637
We report a study of nanophases in the La2O3–MO3 (M = Mo, W) systems, which are known to contain a variety of good oxygen-ion and proton conductors. Mechanically activated La2O3 + MO3 (M = Mo, W) mixtures and the final ceramics have been characterized by differential scanning calorimetry (DSC) and X-ray diffraction (XRD) with Rietveld ...
Added: July 31, 2023
Рыжкин М. И., Рыжкин И. А., Кашин А. М. et al., Письма в Журнал экспериментальной и теоретической физики 2020 Т. 112 № 7-8(10) С. 531–538
The pressure dependence of the proton conductivity of water ice is studied theoretically. It is shown that the decrease in the hydrogen bond length leads to the decrease in the formation energy of ionic defects and to the increase in the formation energy of bond defects. As a result, the partial conductivity of ionic defects, ...
Added: October 31, 2022
Zavorotnaya U., Igor I. Ponomarev, Volkova Y. et al., Materials 2020 Vol. 22 No. 13 Article 5297
The sulfonated polynaphthoyleneimide polymer (co-PNIS70/30) was prepared by copolymerization of 4,4′-diaminodiphenyl ether-2,2′-disulfonic acid (ODAS) and 4,4’-methylenebisanthranilic acid (MDAC) with ODAS/MDAC molar ratio 0.7/0.3. High molecular weight co-PNIS70/30 polymers were synthesized either in phenol or in DMSO by catalytic polyheterocyclization in the presence of benzoic acid and triethylamine. The titration reveals the ion-exchange capacity of the polymer ...
Added: October 20, 2022